3TY
  CCTOOLS-0801250956

 40 41  0  0  1  0  0  0  0  0999 V2000
    4.6360   -4.5350   -0.4590 N   0  0  0  0  0
    4.3290   -3.3610    0.3560 C   0  0  0  0  0
    3.4830   -2.4470   -0.5160 C   0  0  0  0  0
    3.5800   -2.3430   -1.7310 O   0  0  0  0  0
    2.5790   -1.7410    0.2140 O   0  0  0  0  0
    5.6250   -2.6960    0.8340 C   0  0  0  0  0
    5.3620   -1.4760    1.6610 C   0  0  0  0  0
    5.1500   -1.6760    3.1190 C   0  0  0  0  0
    5.1870   -2.7890    3.6340 O   0  0  0  0  0
    4.8900   -0.4790    3.9460 C   0  0  0  0  0
    4.8430    0.7490    3.4200 C   0  0  0  0  0
    4.5980    1.8470    4.2190 O   0  0  0  0  0
    5.0540    0.9570    1.9660 C   0  0  0  0  0
    5.0090    2.1460    1.4530 N   0  0  0  0  0
    5.2210    2.1440    0.1230 N   0  0  0  0  0
    5.0270    3.4210   -0.5430 C   0  0  0  0  0
    5.1000    3.2920   -2.0370 C   0  0  0  0  0
    6.3240    3.4350   -2.6800 C   0  0  0  0  0
    6.3910    3.3160   -4.0690 C   0  0  0  0  0
    5.2350    3.0540   -4.8030 C   0  0  0  0  0
    4.0100    2.9120   -4.1500 C   0  0  0  0  0
    3.9430    3.0320   -2.7620 C   0  0  0  0  0
    5.3140   -0.2440    1.1400 C   0  0  0  0  0
    3.9570   -4.8340   -1.1230 H   0  0  0  0  0
    5.4060   -5.1060   -0.1850 H   0  0  0  0  0
    3.7300   -3.6610    1.2240 H   0  0  0  0  0
    2.0080   -1.1390   -0.3110 H   0  0  0  0  0
    6.2600   -2.4140   -0.0140 H   0  0  0  0  0
    6.2050   -3.3930    1.4490 H   0  0  0  0  0
    4.7370   -0.6380    5.0090 H   0  0  0  0  0
    4.3770    1.5600    5.1100 H   0  0  0  0  0
    6.1350    1.7580   -0.1130 H   0  0  0  0  0
    5.7940    4.1120   -0.1770 H   0  0  0  0  0
    4.0560    3.8180   -0.2300 H   0  0  0  0  0
    7.2300    3.6390   -2.1160 H   0  0  0  0  0
    7.3440    3.4260   -4.5770 H   0  0  0  0  0
    5.2870    2.9610   -5.8840 H   0  0  0  0  0
    3.1100    2.7090   -4.7220 H   0  0  0  0  0
    2.9850    2.9200   -2.2610 H   0  0  0  0  0
    5.4660   -0.0860    0.0770 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 23  2  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 23  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
 22 39  1  0  0  0
 23 40  1  0  0  0
M  END
$$$$
